CS-0364009
2-((2-(1-Cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)nicotinonitrile
Manufacturer: ChemScene
CAS Number: 948406-35-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₇H₁₇N₃OS
Molecular Weight
311.40
Synonyms
None
SMILES
N#CC1=CC=CN=C1SCC(C2=C(C)N(C3CC3)C(C)=C2)=O
Tpsa
58.68
Logp
3.68152
H Acceptors
5
H Donors
0
Rotatable Bonds
5
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇N₃OS
Molecular Weight: 311.40
Synonyms: None
SMILES: N#CC1=CC=CN=C1SCC(C2=C(C)N(C3CC3)C(C)=C2)=O
Tpsa: 58.68
Logp: 3.68152
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇N₃OS
Molecular Weight:
311.40
Synonyms:
None
SMILES:
N#CC1=CC=CN=C1SCC(C2=C(C)N(C3CC3)C(C)=C2)=O
Tpsa:
58.68
Logp:
3.68152
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇FN₂O₃S
Molecular Weight: 312.36
Synonyms: 2-((2-[4-(4-FLUOROPHENYL)PIPERAZINO]-2-OXOETHYL)SULFANYL)ACETIC ACID
SMILES: O=C(O)CSCC(N1CCN(C2=CC=C(F)C=C2)CC1)=O
Tpsa: 60.85
Logp: 1.2921
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇FN₂O₃S
Molecular Weight:
312.36
Synonyms:
2-((2-[4-(4-FLUOROPHENYL)PIPERAZINO]-2-OXOETHYL)SULFANYL)ACETIC ACID
SMILES:
O=C(O)CSCC(N1CCN(C2=CC=C(F)C=C2)CC1)=O
Tpsa:
60.85
Logp:
1.2921
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₂ClF₃N₂OS
Molecular Weight: 396.81
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile
SMILES: C1CC1C2=NC(=C(C#N)C(=C2)C(F)(F)F)SCC(=O)C3=CC=C(C=C3)Cl
Tpsa: 53.75
Logp: 5.47788
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₂ClF₃N₂OS
Molecular Weight:
396.81
Synonyms:
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(trifluoromethyl)nicotinonitrile
SMILES:
C1CC1C2=NC(=C(C#N)C(=C2)C(F)(F)F)SCC(=O)C3=CC=C(C=C3)Cl
Tpsa:
53.75
Logp:
5.47788
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₆N₂O₄
Molecular Weight: 360.36
Synonyms: 2-{[2-(Anilinocarbonyl)anilino]carbonyl}benzoic acid
SMILES: O=C(O)C1=CC=CC=C1C(NC2=CC=CC=C2C(NC3=CC=CC=C3)=O)=O
Tpsa: 95.5
Logp: 3.8894
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₆N₂O₄
Molecular Weight:
360.36
Synonyms:
2-{[2-(Anilinocarbonyl)anilino]carbonyl}benzoic acid
SMILES:
O=C(O)C1=CC=CC=C1C(NC2=CC=CC=C2C(NC3=CC=CC=C3)=O)=O
Tpsa:
95.5
Logp:
3.8894
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5